N-[[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl]-1,2,3-triazol-1-yl]-3-fluoranyl-1-methoxy-propyl]phenyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-methyl-amino]ethyl]-1,2,3-triazol-1-yl]-3-fluoranyl-1-methoxy-propyl]phenyl]phenyl]methyl]ethanamide Openeye Name: N-[[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl]triazol-1-yl]-3-fluoro-1-methoxy-propyl]phenyl]phenyl]methyl]acetamide CAS Name: N-[[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl]-methylamino]ethyl]-1-triazolyl]-3-fluoro-1-methoxypropyl]phenyl]phenyl]methyl]acetamide IUPAC Name: N-[[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]ethyl]triazol-1-yl]-3-fluoro-1-methoxypropyl]phenyl]phenyl]methyl]acetamide Traditional Name: N-[3-[4-[(1R,2S)-2-[4-[2-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-methyl-amino]ethyl]triazol-1-yl]-3-fluoro-1-methoxy-propyl]phenyl]benzyl]acetamide Formula: C59H93FN6O14 MolecularWeight: 1129.399923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(CC(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)OC3C(C(CC(O3)C)N(C)CCC4=CN(N=N4)C(CF)C(C5=CC=C(C=C5)C6=CC(=CC=C6)CNC(=O)C)OC)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H](C[C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CCC4=CN(N=N4)[C@H](CF)[C@@H](C5=CC=C(C=C5)C6=CC(=CC=C6)CNC(=O)C)OC)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C59H93FN6O14/c1-15-48-59(10,73)53(69)37(5)65(12)32-34(2)28-57(8,72)49(27-47(36(4)55(71)79-48)78-50-29-58(9,75-14)54(70)38(6)77-50)80-56-51(68)45(25-35(3)76-56)64(11)24-23-44-33-66(63-62-44)46(30-60)52(74-13)42-21-19-41(20-22-42)43-18-16-17-40(26-43)31-61-39(7)67/h16-22,26,33-38,45-54,56,68-70,72-73H,15,23-25,27-32H2,1-14H3,(H,61,67)/t34-,35-,36-,37-,38+,45+,46-,47+,48-,49-,50+,51-,52-,53-,54+,56+,57-,58-,59-/m1/s1